#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 s THR 2 N 0.00 3.57 0.01 0.00 2.01 -0.32 -4.88 115.64 116.02 1pu0 s THR 2 Ca 0.00 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1pu0 s THR 2 Cb 0.00 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1pu0 s THR 2 CO 0.00 -0.55 -0.08 -0.54 -0.69 0.00 0.00 174.62 172.76 1pu0 s LYS 3 N -4.48 0.61 0.23 4.92 1.02 -1.26 -2.34 119.74 118.43 1pu0 s LYS 3 Ca 0.63 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1pu0 s LYS 3 Cb -0.17 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.53 1pu0 s LYS 3 CO 0.47 0.15 0.10 0.00 -0.92 0.00 0.00 175.35 175.14 1pu0 s ALA 4 N -0.41 1.46 0.04 5.17 0.00 -0.76 -1.22 121.76 126.04 1pu0 s ALA 4 Ca 0.01 -1.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 1pu0 s ALA 4 Cb -0.04 1.13 0.04 0.00 0.00 0.00 0.00 23.12 24.24 1pu0 s ALA 4 CO -0.00 -0.50 0.43 0.54 0.00 0.00 0.00 175.76 176.23 1pu0 s VAL 5 N -3.91 0.05 -0.10 0.00 0.11 -0.27 -1.38 120.40 114.91 1pu0 s VAL 5 Ca 0.37 -0.41 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1pu0 s VAL 5 Cb 0.07 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1pu0 s VAL 5 CO 0.12 -0.23 0.22 0.00 -3.33 0.00 0.00 175.10 171.89 1pu0 s VAL 7 N 1.23 4.86 -0.07 0.00 1.01 -1.26 -0.37 120.40 125.80 1pu0 s VAL 7 Ca -0.09 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1pu0 s VAL 7 Cb -0.11 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1pu0 s VAL 7 CO -0.08 0.07 0.32 -0.76 0.00 0.00 0.00 175.10 174.66 1pu0 s LEU 8 N 1.66 4.39 0.02 3.92 1.43 -0.17 -3.93 118.68 126.00 1pu0 s LEU 8 Ca 0.05 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1pu0 s LEU 8 Cb -0.17 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1pu0 s LEU 8 CO 0.08 0.28 0.23 -0.54 0.23 0.00 0.00 176.35 176.62 1pu0 s LYS 9 N -0.61 0.65 0.00 1.70 1.02 -0.55 -2.76 119.74 119.19 1pu0 s LYS 9 Ca 0.20 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1pu0 s LYS 9 Cb -0.15 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1pu0 s LYS 9 CO 0.09 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1pu0 n GLY 10 N 1.03 3.12 0.03 -3.33 0.00 -1.24 -0.97 105.19 103.83 1pu0 n GLY 10 Ca -0.21 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1pu0 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pu0 n ASP 11 N -1.74 0.21 0.00 1.61 8.00 -1.26 -4.84 116.55 118.53 1pu0 n ASP 11 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1pu0 n ASP 11 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1pu0 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pu0 n GLY 12 N 1.19 4.95 0.31 0.44 0.00 -1.26 -5.03 105.19 105.79 1pu0 n GLY 12 Ca 0.06 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 44.23 1pu0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pu0 n PRO 13 N 0.00 1.43 -2.35 1.61 -0.04 -1.26 -4.90 135.00 129.48 1pu0 n PRO 13 Ca 0.00 -0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 62.42 1pu0 n PRO 13 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 1pu0 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pu0 s VAL 14 N -2.00 4.13 0.08 0.52 1.01 -1.26 -4.43 120.40 118.44 1pu0 s VAL 14 Ca 0.42 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 1pu0 s VAL 14 Cb 0.21 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1pu0 s VAL 14 CO 0.35 -0.10 0.05 0.00 0.00 0.00 0.00 175.10 175.40 1pu0 s GLN 15 N 3.32 0.74 0.00 2.72 -2.07 -1.06 -3.62 119.66 119.69 1pu0 s GLN 15 Ca 0.58 -1.19 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 1pu0 s GLN 15 Cb -0.25 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1pu0 s GLN 15 CO 0.19 -0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.38 1pu0 n GLY 16 N 0.02 0.29 3.02 2.60 0.00 -1.11 0.42 105.19 110.43 1pu0 n GLY 16 Ca -0.13 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 1pu0 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu0 s ILE 17 N -2.00 1.34 -0.13 -0.61 1.01 -0.61 -1.00 121.20 119.20 1pu0 s ILE 17 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1pu0 s ILE 17 Cb 0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1pu0 s ILE 17 CO 0.00 0.41 -0.16 -0.63 0.00 0.00 0.00 174.94 174.56 1pu0 s ILE 18 N 1.08 2.79 0.01 2.92 -1.09 0.50 -2.26 121.20 125.15 1pu0 s ILE 18 Ca -0.05 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1pu0 s ILE 18 Cb -0.15 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1pu0 s ILE 18 CO -0.02 0.53 0.13 0.20 -1.23 0.00 0.00 174.94 174.54 1pu0 s ASN 19 N 0.40 5.96 -0.02 3.58 0.01 0.11 -0.44 114.94 124.54 1pu0 s ASN 19 Ca -0.12 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.29 1pu0 s ASN 19 Cb -0.16 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 1pu0 s ASN 19 CO 0.06 0.25 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.38 1pu0 s PHE 20 N -1.28 1.49 -0.11 2.20 0.08 -0.48 -0.65 117.98 119.23 1pu0 s PHE 20 Ca 0.26 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 56.94 1pu0 s PHE 20 Cb -0.12 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1pu0 s PHE 20 CO 0.17 -0.06 0.24 -2.00 -0.10 0.00 0.00 175.22 173.47 1pu0 s GLU 21 N -0.25 0.17 -0.37 0.44 2.12 0.10 -1.83 118.70 119.07 1pu0 s GLU 21 Ca 0.03 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.99 1pu0 s GLU 21 Cb -0.08 -0.11 0.11 0.00 0.26 0.00 0.00 34.13 34.31 1pu0 s GLU 21 CO 0.00 -0.21 0.10 -1.14 -0.54 0.00 0.00 175.26 173.47 1pu0 s GLN 22 N 1.69 1.45 0.21 4.30 0.74 -0.99 0.66 119.66 127.72 1pu0 s GLN 22 Ca -0.05 -1.90 -0.05 0.00 0.05 0.00 0.00 55.36 53.41 1pu0 s GLN 22 Cb -0.11 -3.01 0.17 0.00 1.10 0.00 0.00 33.01 31.15 1pu0 s GLN 22 CO -0.08 -0.99 1.63 0.87 -0.55 0.00 0.00 175.29 176.17 1pu0 h LYS 23 N 7.45 0.82 -6.23 1.67 1.57 -1.82 -0.82 116.57 119.21 1pu0 h LYS 23 Ca -0.06 -0.32 -0.68 0.00 -1.87 0.00 0.00 60.65 57.71 1pu0 h LYS 23 Cb 0.99 -0.04 -0.31 0.00 0.08 0.00 0.00 32.23 32.95 1pu0 h LYS 23 CO 0.54 0.95 -0.88 -1.21 -0.57 0.00 0.00 179.45 178.27 1pu0 s GLU 24 N -4.66 2.29 0.00 3.15 2.02 -1.26 -2.90 118.70 117.34 1pu0 s GLU 24 Ca -0.10 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.00 1pu0 s GLU 24 Cb 0.13 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1pu0 s GLU 24 CO 0.84 0.45 0.00 -1.13 0.02 0.00 0.00 175.26 175.44 1pu0 n SER 25 N 2.73 0.00 -2.31 -0.19 3.41 -1.26 -0.37 113.62 115.63 1pu0 n SER 25 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 1pu0 n SER 25 Cb 0.52 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.51 1pu0 n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pu0 n ASN 26 N -2.29 2.02 -2.34 4.04 5.15 -1.26 -4.81 115.26 115.77 1pu0 n ASN 26 Ca 0.00 -2.41 -0.05 0.00 -0.60 0.00 0.00 54.58 51.52 1pu0 n ASN 26 Cb 0.00 -0.42 0.04 0.00 -0.53 0.00 0.00 39.78 38.86 1pu0 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pu0 n GLY 27 N -0.43 -1.24 3.73 8.20 0.00 0.51 -5.02 105.19 110.94 1pu0 n GLY 27 Ca 0.14 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 1pu0 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pu0 s PRO 28 N -3.50 2.43 -0.20 1.61 0.02 -1.26 -4.89 135.00 129.21 1pu0 s PRO 28 Ca 0.13 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 62.86 1pu0 s PRO 28 Cb -0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1pu0 s PRO 28 CO 0.09 -1.62 0.07 0.08 -0.33 0.00 0.00 177.00 175.30 1pu0 s VAL 29 N -1.84 4.76 -0.08 3.83 1.01 0.74 -4.44 120.40 124.38 1pu0 s VAL 29 Ca 0.76 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 1pu0 s VAL 29 Cb -0.30 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1pu0 s VAL 29 CO 0.41 0.42 0.77 -0.54 0.00 0.00 0.00 175.10 176.17 1pu0 s LYS 30 N 0.70 4.42 -0.22 2.72 1.02 0.21 -1.47 119.74 127.12 1pu0 s LYS 30 Ca 0.04 0.99 -0.01 0.00 0.02 0.00 0.00 55.97 57.01 1pu0 s LYS 30 Cb -0.13 -3.48 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1pu0 s LYS 30 CO 0.02 -0.05 -0.11 0.08 -0.92 0.00 0.00 175.35 174.37 1pu0 s VAL 31 N 1.17 2.61 0.00 3.17 1.01 -0.01 0.01 120.40 128.36 1pu0 s VAL 31 Ca 0.40 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1pu0 s VAL 31 Cb -0.18 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1pu0 s VAL 31 CO 0.18 0.34 0.33 -1.66 0.00 0.00 0.00 175.10 174.29 1pu0 s TRP 32 N 1.32 -0.19 -1.70 5.22 -2.14 0.17 0.11 118.94 121.73 1pu0 s TRP 32 Ca 0.02 0.23 0.00 0.00 2.66 0.00 0.00 56.10 59.01 1pu0 s TRP 32 Cb -0.15 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.33 1pu0 s TRP 32 CO -0.07 -0.44 0.00 0.41 -2.66 0.00 0.00 176.95 174.19 1pu0 n GLY 33 N 1.05 -0.59 3.18 3.67 0.00 -0.71 0.09 105.19 111.89 1pu0 n GLY 33 Ca -0.21 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1pu0 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 34 N -4.00 -0.07 -0.07 1.61 1.04 -0.96 -1.67 113.70 109.58 1pu0 s SER 34 Ca 0.00 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1pu0 s SER 34 Cb 0.00 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1pu0 s SER 34 CO 0.00 -0.44 -0.12 -0.63 0.98 0.00 0.00 173.24 173.03 1pu0 s ILE 35 N -1.56 1.17 0.46 -1.02 1.01 -0.76 -1.58 121.20 118.93 1pu0 s ILE 35 Ca -0.13 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1pu0 s ILE 35 Cb -0.05 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1pu0 s ILE 35 CO 0.02 0.36 0.06 -1.59 0.00 0.00 0.00 174.94 173.79 1pu0 s LYS 36 N 0.75 2.11 0.00 2.79 -2.85 0.17 -0.13 119.74 122.58 1pu0 s LYS 36 Ca -0.13 -2.18 0.00 0.00 -1.00 0.00 0.00 55.97 52.66 1pu0 s LYS 36 Cb -0.16 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 1pu0 s LYS 36 CO 0.03 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1pu0 n GLY 37 N -1.18 0.46 3.95 0.59 0.00 -1.01 -2.55 105.19 105.45 1pu0 n GLY 37 Ca -0.10 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1pu0 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 38 N 0.00 4.19 0.37 0.99 1.43 -0.62 -4.31 118.68 120.73 1pu0 s LEU 38 Ca 0.00 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.14 1pu0 s LEU 38 Cb 0.00 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 1pu0 s LEU 38 CO 0.00 -0.14 1.10 0.42 0.23 0.00 0.00 176.35 177.96 1pu0 s THR 39 N -2.06 3.48 0.23 5.49 -4.23 -1.26 -4.12 115.64 113.17 1pu0 s THR 39 Ca 0.37 1.26 -0.31 0.00 -1.18 0.00 0.00 61.69 61.83 1pu0 s THR 39 Cb -0.10 -3.71 -0.14 0.00 1.34 0.00 0.00 72.50 69.89 1pu0 s THR 39 CO 0.31 0.12 1.29 1.21 -0.54 0.00 0.00 174.62 177.01 1pu0 n GLU 40 N 0.30 1.69 0.00 3.99 2.13 -1.26 -4.59 120.64 122.91 1pu0 n GLU 40 Ca 0.03 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1pu0 n GLU 40 Cb 0.47 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1pu0 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pu0 n GLY 41 N 1.95 0.59 3.73 8.31 0.00 0.12 -4.90 105.19 114.99 1pu0 n GLY 41 Ca 0.12 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1pu0 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 42 N 0.00 4.32 -0.06 0.99 1.43 -1.26 0.36 118.68 124.46 1pu0 s LEU 42 Ca 0.00 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1pu0 s LEU 42 Cb 0.00 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1pu0 s LEU 42 CO 0.00 -0.01 -0.09 -1.00 0.23 0.00 0.00 176.35 175.49 1pu0 s HIS 43 N 0.48 1.15 0.39 0.29 3.76 -0.00 -2.87 115.29 118.50 1pu0 s HIS 43 Ca 0.30 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.54 1pu0 s HIS 43 Cb -0.16 -0.90 -0.10 0.00 1.11 0.00 0.00 32.58 32.52 1pu0 s HIS 43 CO 0.14 -0.25 1.40 0.41 -0.85 0.00 0.00 174.74 175.59 1pu0 n GLY 44 N 3.96 0.92 2.69 -2.22 0.00 0.25 -0.50 105.19 110.28 1pu0 n GLY 44 Ca -0.23 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1pu0 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pu0 s PHE 45 N -1.14 0.30 0.02 1.61 5.36 0.18 -0.82 117.98 123.47 1pu0 s PHE 45 Ca 0.57 -0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 56.40 1pu0 s PHE 45 Cb -0.49 -0.64 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 1pu0 s PHE 45 CO 0.61 -0.32 0.20 -1.01 -1.46 0.00 0.00 175.22 173.24 1pu0 s HIS 46 N 2.10 0.00 -0.18 10.12 3.76 -0.72 -2.43 115.29 127.93 1pu0 s HIS 46 Ca 0.04 -0.12 -0.24 0.00 -0.15 0.00 0.00 55.06 54.59 1pu0 s HIS 46 Cb -0.13 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.53 1pu0 s HIS 46 CO -0.05 -0.38 0.78 0.08 -0.85 0.00 0.00 174.74 174.32 1pu0 s VAL 47 N -1.95 4.91 0.33 -0.90 1.01 -0.23 -0.81 120.40 122.77 1pu0 s VAL 47 Ca -0.10 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.45 1pu0 s VAL 47 Cb -0.04 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1pu0 s VAL 47 CO -0.00 0.04 0.43 -1.00 0.00 0.00 0.00 175.10 174.56 1pu0 s HIS 48 N 2.16 3.08 0.09 5.22 3.76 0.21 -0.97 115.29 128.83 1pu0 s HIS 48 Ca 0.35 -0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 54.89 1pu0 s HIS 48 Cb -0.16 -1.94 -0.12 0.00 1.11 0.00 0.00 32.58 31.47 1pu0 s HIS 48 CO 0.11 0.05 1.35 1.49 -0.85 0.00 0.00 174.74 176.89 1pu0 h GLU 49 N 0.97 0.71 -5.71 1.40 4.81 -0.63 -2.65 114.58 113.49 1pu0 h GLU 49 Ca -0.46 -0.47 -0.67 0.00 -0.13 0.00 0.00 59.36 57.63 1pu0 h GLU 49 Cb 1.25 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 1pu0 h GLU 49 CO 0.54 1.10 -0.51 -0.06 -0.73 0.00 0.00 179.01 179.35 1pu0 s PHE 50 N -4.03 3.51 -0.44 0.92 0.08 -0.37 -4.62 117.98 113.04 1pu0 s PHE 50 Ca -0.12 0.46 -0.04 0.00 0.12 0.00 0.00 56.93 57.35 1pu0 s PHE 50 Cb 0.08 -1.91 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1pu0 s PHE 50 CO 0.86 0.68 2.77 0.41 -0.10 0.00 0.00 175.22 179.84 1pu0 n GLY 51 N 2.00 4.30 3.14 4.36 0.00 -1.06 -3.42 105.19 114.52 1pu0 n GLY 51 Ca -0.20 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1pu0 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pu0 s ASP 52 N 0.39 5.03 -0.28 1.61 3.68 -1.26 -4.96 116.67 120.88 1pu0 s ASP 52 Ca 0.58 -1.62 0.12 0.00 2.13 0.00 0.00 52.55 53.76 1pu0 s ASP 52 Cb 0.38 -1.75 0.70 0.00 -1.45 0.00 0.00 42.92 40.79 1pu0 s ASP 52 CO -0.21 -0.38 1.70 -3.20 0.13 0.00 0.00 175.17 173.21 1pu0 n ASN 53 N 4.59 4.58 0.26 -0.34 4.05 -1.26 -2.89 115.26 124.24 1pu0 n ASN 53 Ca -0.08 -3.20 0.14 0.00 0.45 0.00 0.00 54.58 51.90 1pu0 n ASN 53 Cb 0.43 -0.69 0.64 0.00 1.23 0.00 0.00 39.78 41.38 1pu0 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1pu0 h THR 54 N 2.54 0.31 -1.23 -0.44 1.35 -1.93 -2.98 112.91 110.53 1pu0 h THR 54 Ca 0.17 -0.72 -0.52 0.00 -0.55 0.00 0.00 66.41 64.79 1pu0 h THR 54 Cb 2.05 1.55 -0.42 0.00 -1.73 0.00 0.00 68.15 69.61 1pu0 h THR 54 CO 0.57 0.10 -0.85 0.00 -0.25 0.00 0.00 175.52 175.10 1pu0 n ALA 55 N -2.17 4.65 -0.83 6.62 0.00 -1.26 -5.05 120.51 122.46 1pu0 n ALA 55 Ca -0.00 -3.94 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1pu0 n ALA 55 Cb 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1pu0 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 56 N -0.46 0.75 0.06 0.00 0.00 -1.13 -3.06 105.19 101.35 1pu0 n GLY 56 Ca 0.33 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1pu0 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pu0 h THR 58 N 0.00 1.25 -0.00 0.00 2.02 -1.88 -2.80 112.91 111.49 1pu0 h THR 58 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1pu0 h THR 58 Cb 0.44 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1pu0 h THR 58 CO 0.00 0.35 -0.01 -1.54 0.37 0.00 0.00 175.52 174.69 1pu0 n SER 59 N -4.15 0.04 0.03 4.18 3.41 -1.21 -2.74 113.62 113.18 1pu0 n SER 59 Ca -0.01 -0.35 0.05 0.00 -0.26 0.00 0.00 58.87 58.31 1pu0 n SER 59 Cb 0.37 -0.21 0.25 0.00 -0.26 0.00 0.00 64.21 64.36 1pu0 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pu0 n ALA 60 N -1.20 1.38 -0.28 7.33 0.00 -1.06 -4.48 120.51 122.22 1pu0 n ALA 60 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pu0 n ALA 60 Cb 0.22 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1pu0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 61 N -0.62 -0.81 3.95 0.00 0.00 -1.11 -1.24 105.19 105.36 1pu0 n GLY 61 Ca 0.02 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1pu0 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pu0 s PRO 62 N 0.00 1.56 0.28 1.61 0.04 -1.26 -4.64 135.00 132.59 1pu0 s PRO 62 Ca 0.00 -0.62 -0.29 0.00 0.04 0.00 0.00 61.00 60.14 1pu0 s PRO 62 Cb 0.00 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1pu0 s PRO 62 CO 0.00 -1.65 1.10 0.72 0.04 0.00 0.00 177.00 177.21 1pu0 n HIS 63 N -3.13 1.52 -1.72 0.56 8.25 -1.26 -0.52 115.22 118.92 1pu0 n HIS 63 Ca 0.13 0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 57.82 1pu0 n HIS 63 Cb 0.60 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.38 1pu0 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pu0 s PHE 64 N -0.91 1.37 -0.41 4.41 5.99 -0.15 -4.51 117.98 123.77 1pu0 s PHE 64 Ca 0.60 -0.35 0.08 0.00 0.00 0.00 0.00 56.93 57.26 1pu0 s PHE 64 Cb -0.69 -4.20 0.28 0.00 0.00 0.00 0.00 43.02 38.42 1pu0 s PHE 64 CO 0.59 -5.31 0.69 -1.71 -0.00 0.00 0.00 175.22 169.48 1pu0 n ASN 65 N 7.57 -0.44 0.15 6.13 5.15 -1.26 -2.05 115.26 130.50 1pu0 n ASN 65 Ca 0.20 -2.97 0.12 0.00 -0.60 0.00 0.00 54.58 51.32 1pu0 n ASN 65 Cb 0.41 0.04 0.54 0.00 -0.53 0.00 0.00 39.78 40.25 1pu0 n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pu0 n PRO 66 N 1.07 0.19 -0.52 1.20 -0.04 -1.26 -2.50 135.00 133.13 1pu0 n PRO 66 Ca 0.18 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 64.24 1pu0 n PRO 66 Cb 0.60 -1.92 0.30 0.00 -0.04 0.00 0.00 33.50 32.44 1pu0 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pu0 n LEU 67 N -2.29 4.32 -4.42 1.53 4.77 -1.26 -4.95 117.00 114.71 1pu0 n LEU 67 Ca 0.01 -2.55 -0.40 0.00 -0.03 0.00 0.00 56.01 53.04 1pu0 n LEU 67 Cb 0.16 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 1pu0 n LEU 67 CO 0.17 0.75 -0.13 -0.24 -1.33 0.00 0.00 177.39 176.60 1pu0 n SER 68 N 0.58 -2.14 -4.89 -1.43 2.88 -1.04 -4.91 113.62 102.66 1pu0 n SER 68 Ca 0.22 -1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 56.31 1pu0 n SER 68 Cb 0.84 -2.01 0.03 0.00 -0.75 0.00 0.00 64.21 62.32 1pu0 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1pu0 s ARG 69 N -7.14 3.03 0.79 -1.46 1.81 -1.26 -5.06 118.95 109.67 1pu0 s ARG 69 Ca 0.75 0.34 -0.11 0.00 -1.72 0.00 0.00 55.73 54.98 1pu0 s ARG 69 Cb -0.43 -2.13 0.07 0.00 -0.45 0.00 0.00 34.95 32.01 1pu0 s ARG 69 CO 0.99 -0.80 1.09 0.15 -0.68 0.00 0.00 175.30 176.05 1pu0 s LYS 70 N -5.18 2.12 0.42 3.54 1.02 -1.26 -4.72 119.74 115.69 1pu0 s LYS 70 Ca 0.56 0.77 -0.24 0.00 0.02 0.00 0.00 55.97 57.07 1pu0 s LYS 70 Cb -0.11 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.21 1pu0 s LYS 70 CO 0.50 -1.62 1.16 -1.58 -0.92 0.00 0.00 175.35 172.88 1pu0 s HIS 71 N -3.08 3.01 0.15 3.18 5.65 -0.33 -3.36 115.29 120.51 1pu0 s HIS 71 Ca 0.61 1.55 -0.04 0.00 0.25 0.00 0.00 55.06 57.43 1pu0 s HIS 71 Cb -0.15 -3.37 0.02 0.00 -1.18 0.00 0.00 32.58 27.89 1pu0 s HIS 71 CO 0.55 -1.34 0.27 0.41 -0.65 0.00 0.00 174.74 173.98 1pu0 n GLY 72 N 0.54 2.04 3.89 1.59 0.00 -1.25 -4.26 105.19 107.74 1pu0 n GLY 72 Ca 0.05 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1pu0 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pu0 s GLY 73 N -1.84 1.60 0.56 -0.02 0.00 -1.06 -4.68 107.32 101.89 1pu0 s GLY 73 Ca 0.08 -0.39 0.27 0.00 0.00 0.00 0.00 44.72 44.68 1pu0 s GLY 73 CO 0.06 -0.13 2.20 -0.56 0.00 0.00 0.00 173.10 174.67 1pu0 h PRO 74 N -0.22 0.00 0.00 2.90 0.13 -1.87 -2.03 132.00 130.91 1pu0 h PRO 74 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1pu0 h PRO 74 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1pu0 h PRO 74 CO 0.62 0.03 -2.04 1.63 -0.23 0.00 0.00 178.00 178.02 1pu0 n LYS 75 N -3.88 0.66 -1.64 0.86 4.76 -1.26 -4.96 118.16 112.70 1pu0 n LYS 75 Ca -0.03 -0.18 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 1pu0 n LYS 75 Cb 0.12 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.81 1pu0 n LYS 75 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1pu0 n ASP 76 N -2.31 1.65 -0.10 4.39 10.43 -0.76 -4.88 116.55 124.96 1pu0 n ASP 76 Ca -0.07 1.06 -0.05 0.00 2.57 0.00 0.00 54.79 58.29 1pu0 n ASP 76 Cb 0.63 -1.40 0.01 0.00 1.84 0.00 0.00 41.12 42.21 1pu0 n ASP 76 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1pu0 h GLU 77 N 1.71 0.03 -5.09 -1.24 5.08 -1.94 -3.39 114.58 109.74 1pu0 h GLU 77 Ca -0.45 -0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1pu0 h GLU 77 Cb 1.33 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.32 1pu0 h GLU 77 CO 0.58 0.02 -0.69 -1.83 -1.00 0.00 0.00 179.01 176.09 1pu0 s GLU 78 N -6.20 3.51 0.18 2.33 -1.05 -1.26 -5.08 118.70 111.13 1pu0 s GLU 78 Ca -0.14 -0.57 -0.15 0.00 -0.15 0.00 0.00 54.97 53.96 1pu0 s GLU 78 Cb 0.13 -3.02 0.02 0.00 -0.44 0.00 0.00 34.13 30.82 1pu0 s GLU 78 CO 0.70 -0.05 0.45 -0.98 0.95 0.00 0.00 175.26 176.34 1pu0 s ARG 79 N 1.12 1.31 0.39 -4.83 1.70 -1.24 -3.88 118.95 113.51 1pu0 s ARG 79 Ca 0.02 -0.95 -0.24 0.00 -0.47 0.00 0.00 55.73 54.08 1pu0 s ARG 79 Cb -0.15 0.48 -0.09 0.00 -0.57 0.00 0.00 34.95 34.62 1pu0 s ARG 79 CO 0.00 -0.53 1.03 -1.01 -1.08 0.00 0.00 175.30 173.71 1pu0 s HIS 80 N -3.90 3.32 0.32 5.89 3.76 -1.21 -4.66 115.29 118.81 1pu0 s HIS 80 Ca 0.11 1.66 0.08 0.00 -0.15 0.00 0.00 55.06 56.76 1pu0 s HIS 80 Cb 0.00 -3.08 0.79 0.00 1.11 0.00 0.00 32.58 31.41 1pu0 s HIS 80 CO -0.02 -0.48 1.78 0.28 -0.85 0.00 0.00 174.74 175.44 1pu0 h VAL 81 N 2.22 0.68 -0.11 -0.90 2.07 -1.88 -1.80 116.25 116.53 1pu0 h VAL 81 Ca -0.48 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1pu0 h VAL 81 Cb 1.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1pu0 h VAL 81 CO 0.63 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1pu0 n GLY 82 N -1.35 -0.34 3.58 2.17 0.00 -0.87 -4.20 105.19 104.19 1pu0 n GLY 82 Ca 0.24 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pu0 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pu0 s ASP 83 N -1.38 6.39 -0.08 1.61 1.01 -0.68 -1.06 116.67 122.48 1pu0 s ASP 83 Ca 0.24 0.19 0.13 0.00 0.71 0.00 0.00 52.55 53.81 1pu0 s ASP 83 Cb 0.12 -2.55 0.37 0.00 1.01 0.00 0.00 42.92 41.87 1pu0 s ASP 83 CO 0.18 -1.51 1.30 0.18 0.21 0.00 0.00 175.17 175.53 1pu0 n LEU 84 N 8.64 3.22 0.00 1.23 4.77 -1.02 -3.60 117.00 130.24 1pu0 n LEU 84 Ca 0.10 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 1pu0 n LEU 84 Cb 0.49 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1pu0 n LEU 84 CO 0.71 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1pu0 n GLY 85 N -0.08 0.98 3.46 -0.72 0.00 -1.18 -4.79 105.19 102.86 1pu0 n GLY 85 Ca 0.15 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1pu0 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu0 s ASN 86 N -4.00 3.71 0.24 1.61 0.01 -1.26 0.47 114.94 115.71 1pu0 s ASN 86 Ca 0.00 -0.60 0.07 0.00 -0.71 0.00 0.00 52.86 51.62 1pu0 s ASN 86 Cb 0.00 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1pu0 s ASN 86 CO 0.00 0.19 0.19 0.68 -1.51 0.00 0.00 177.10 176.65 1pu0 s VAL 87 N -1.09 4.46 -0.18 1.60 -7.23 0.34 -4.90 120.40 113.40 1pu0 s VAL 87 Ca 0.16 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1pu0 s VAL 87 Cb -0.10 -3.39 0.02 0.00 0.56 0.00 0.00 36.38 33.47 1pu0 s VAL 87 CO 0.08 -0.32 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.47 1pu0 s THR 88 N -2.08 2.01 -0.07 5.32 2.01 -1.26 -0.82 115.64 120.75 1pu0 s THR 88 Ca 0.33 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1pu0 s THR 88 Cb -0.08 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1pu0 s THR 88 CO 0.25 0.51 0.28 0.00 -0.69 0.00 0.00 174.62 174.97 1pu0 s ALA 89 N 1.31 3.76 1.07 7.40 0.00 0.16 -3.97 121.76 131.49 1pu0 s ALA 89 Ca 0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1pu0 s ALA 89 Cb -0.13 -2.21 0.25 0.00 0.00 0.00 0.00 23.12 21.02 1pu0 s ALA 89 CO -0.13 0.49 1.25 0.16 0.00 0.00 0.00 175.76 177.54 1pu0 s ASP 90 N -0.86 2.10 0.66 0.00 3.84 -0.53 0.12 116.67 122.02 1pu0 s ASP 90 Ca 0.19 0.34 0.43 0.00 -0.00 0.00 0.00 52.55 53.51 1pu0 s ASP 90 Cb -0.14 -0.40 2.35 0.00 -1.38 0.00 0.00 42.92 43.35 1pu0 s ASP 90 CO 0.08 -3.37 2.33 0.07 -0.00 0.00 0.00 175.17 174.28 1pu0 h LYS 91 N -2.07 0.00 -0.34 2.11 2.10 -1.96 0.22 116.57 116.63 1pu0 h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1pu0 h LYS 91 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1pu0 h LYS 91 CO 0.33 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.53 1pu0 n ASP 92 N -3.05 1.78 0.00 7.07 8.00 -1.26 -4.84 116.55 124.25 1pu0 n ASP 92 Ca -0.03 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1pu0 n ASP 92 Cb 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1pu0 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pu0 n GLY 93 N 1.01 0.54 3.54 0.44 0.00 0.07 -4.76 105.19 106.03 1pu0 n GLY 93 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1pu0 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pu0 s VAL 94 N -2.27 4.67 -0.25 1.61 1.01 -1.26 -1.58 120.40 122.34 1pu0 s VAL 94 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1pu0 s VAL 94 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1pu0 s VAL 94 CO 0.00 0.36 0.30 0.00 0.00 0.00 0.00 175.10 175.76 1pu0 s ALA 95 N 1.20 3.57 -0.24 5.51 0.00 0.82 -1.45 121.76 131.18 1pu0 s ALA 95 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1pu0 s ALA 95 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1pu0 s ALA 95 CO 0.04 -0.44 0.13 -0.51 0.00 0.00 0.00 175.76 174.98 1pu0 s ASP 96 N 1.36 5.79 -0.16 0.00 1.01 -1.25 -1.82 116.67 121.60 1pu0 s ASP 96 Ca 0.13 0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.35 1pu0 s ASP 96 Cb -0.15 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1pu0 s ASP 96 CO 0.08 0.05 0.05 -0.69 0.21 0.00 0.00 175.17 174.87 1pu0 s VAL 97 N 1.15 4.66 -0.44 -1.27 1.01 -0.67 -4.82 120.40 120.02 1pu0 s VAL 97 Ca 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1pu0 s VAL 97 Cb -0.14 -3.07 0.18 0.00 0.00 0.00 0.00 36.38 33.35 1pu0 s VAL 97 CO 0.05 0.50 0.54 -0.55 0.00 0.00 0.00 175.10 175.64 1pu0 s SER 98 N 0.09 -0.22 0.15 3.32 0.15 -1.25 -1.73 113.70 114.21 1pu0 s SER 98 Ca 0.04 -1.83 0.07 0.00 0.70 0.00 0.00 55.95 54.93 1pu0 s SER 98 Cb -0.12 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 1pu0 s SER 98 CO 0.01 -0.15 -0.02 -0.63 1.20 0.00 0.00 173.24 173.66 1pu0 s ILE 99 N 0.99 3.72 -0.07 6.45 -1.09 0.12 -4.99 121.20 126.32 1pu0 s ILE 99 Ca 0.25 -1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1pu0 s ILE 99 Cb -0.04 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.04 1pu0 s ILE 99 CO -0.08 -0.03 -0.00 -0.70 -1.23 0.00 0.00 174.94 172.90 1pu0 s GLU 100 N -2.72 0.63 0.31 2.79 2.12 -1.26 -0.83 118.70 119.75 1pu0 s GLU 100 Ca 0.26 0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.76 1pu0 s GLU 100 Cb -0.10 -0.98 -0.06 0.00 0.26 0.00 0.00 34.13 33.25 1pu0 s GLU 100 CO 0.18 -0.30 -0.04 0.34 -0.54 0.00 0.00 175.26 174.90 1pu0 s ASP 101 N 1.95 2.99 0.00 -1.70 -1.08 -0.54 -4.96 116.67 113.34 1pu0 s ASP 101 Ca 0.05 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 50.83 1pu0 s ASP 101 Cb -0.12 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.12 1pu0 s ASP 101 CO -0.05 -0.38 0.04 -1.20 0.52 0.00 0.00 175.17 174.10 1pu0 n SER 102 N -0.69 0.03 -0.07 -0.34 7.64 -1.26 -0.19 113.62 118.75 1pu0 n SER 102 Ca -0.05 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.61 1pu0 n SER 102 Cb 0.64 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.72 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pu0 n VAL 103 N -0.00 1.62 -1.19 0.44 0.31 -1.26 -4.91 118.33 113.34 1pu0 n VAL 103 Ca 0.00 -0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1pu0 n VAL 103 Cb 0.26 -1.89 0.15 0.00 -0.91 0.00 0.00 33.84 31.45 1pu0 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1pu0 s ILE 104 N -2.45 2.49 0.24 2.52 -4.36 -1.26 -4.90 121.20 113.47 1pu0 s ILE 104 Ca -0.28 0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 60.09 1pu0 s ILE 104 Cb 0.07 -2.64 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1pu0 s ILE 104 CO 0.64 -0.21 0.58 -0.55 0.24 0.00 0.00 174.94 175.65 1pu0 s SER 105 N -3.42 -0.22 -0.15 4.36 0.15 -1.07 -4.74 113.70 108.60 1pu0 s SER 105 Ca 0.64 -0.63 0.16 0.00 0.70 0.00 0.00 55.95 56.83 1pu0 s SER 105 Cb -0.18 0.63 0.69 0.00 -1.71 0.00 0.00 66.02 65.45 1pu0 s SER 105 CO 0.57 -1.17 1.61 0.18 1.20 0.00 0.00 173.24 175.63 1pu0 n LEU 106 N -0.39 4.78 -3.52 3.45 4.77 -1.26 -1.22 117.00 123.60 1pu0 n LEU 106 Ca -0.06 -2.64 -0.14 0.00 -0.03 0.00 0.00 56.01 53.14 1pu0 n LEU 106 Cb 0.61 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1pu0 n LEU 106 CO 0.18 0.74 0.34 -0.55 -1.33 0.00 0.00 177.39 176.77 1pu0 s SER 107 N -1.05 -0.51 0.00 -1.43 0.15 -1.26 -4.86 113.70 104.74 1pu0 s SER 107 Ca 0.49 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1pu0 s SER 107 Cb 0.34 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1pu0 s SER 107 CO 0.19 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1pu0 n GLY 108 N 0.27 -1.81 0.21 9.45 0.00 -1.26 -3.80 105.19 108.25 1pu0 n GLY 108 Ca -0.18 -1.95 0.08 0.00 0.00 0.00 0.00 46.02 43.98 1pu0 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pu0 h ASP 109 N 0.00 0.00 -0.40 1.61 5.19 -2.01 -1.97 116.42 118.84 1pu0 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pu0 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1pu0 h ASP 109 CO 0.00 0.27 0.00 1.41 -3.12 0.00 0.00 179.24 177.80 1pu0 n HIS 110 N -3.37 0.96 -2.13 4.55 8.25 -1.26 -4.96 115.22 117.26 1pu0 n HIS 110 Ca 0.01 -0.38 -0.41 0.00 -0.26 0.00 0.00 57.72 56.68 1pu0 n HIS 110 Cb 0.49 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 1pu0 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pu0 n ILE 112 N 0.92 0.00 -2.20 0.00 -5.35 -0.36 -4.91 119.36 107.46 1pu0 n ILE 112 Ca 0.00 -0.44 -0.41 0.00 -0.27 0.00 0.00 62.75 61.63 1pu0 n ILE 112 Cb 0.42 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.58 1pu0 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1pu0 s ILE 113 N -1.53 3.01 0.00 7.28 1.01 -1.26 -1.80 121.20 127.90 1pu0 s ILE 113 Ca 0.17 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1pu0 s ILE 113 Cb 0.13 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1pu0 s ILE 113 CO 0.27 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1pu0 n GLY 114 N 1.55 0.96 1.62 6.18 0.00 0.43 -4.99 105.19 110.92 1pu0 n GLY 114 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1pu0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 n ARG 115 N -2.00 1.14 -4.75 1.61 1.74 -0.75 -2.56 116.66 111.10 1pu0 n ARG 115 Ca 0.00 -1.46 -0.33 0.00 -0.77 0.00 0.00 57.85 55.29 1pu0 n ARG 115 Cb 0.00 0.15 -0.14 0.00 -1.02 0.00 0.00 32.46 31.45 1pu0 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pu0 s THR 116 N -1.14 3.12 -0.01 0.55 2.01 -1.00 -0.78 115.64 118.39 1pu0 s THR 116 Ca 0.13 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.27 1pu0 s THR 116 Cb -0.01 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1pu0 s THR 116 CO 0.09 0.52 0.66 -0.22 -0.69 0.00 0.00 174.62 174.98 1pu0 s LEU 117 N 0.32 4.39 -0.05 4.42 2.96 -0.45 0.64 118.68 130.91 1pu0 s LEU 117 Ca -0.10 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1pu0 s LEU 117 Cb -0.16 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1pu0 s LEU 117 CO 0.05 0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.28 1pu0 s VAL 118 N 0.12 1.17 -0.05 1.68 1.01 0.01 -1.81 120.40 122.53 1pu0 s VAL 118 Ca 0.34 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1pu0 s VAL 118 Cb -0.19 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1pu0 s VAL 118 CO 0.19 0.36 -0.07 0.54 0.00 0.00 0.00 175.10 176.11 1pu0 s VAL 119 N 0.42 3.65 0.43 2.92 0.11 -0.72 -1.75 120.40 125.47 1pu0 s VAL 119 Ca -0.10 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 1pu0 s VAL 119 Cb -0.14 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1pu0 s VAL 119 CO 0.03 0.56 0.23 -1.00 -3.33 0.00 0.00 175.10 171.60 1pu0 s HIS 120 N -0.84 2.47 0.02 1.54 3.76 -0.00 -0.45 115.29 121.79 1pu0 s HIS 120 Ca 0.13 -0.62 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 1pu0 s HIS 120 Cb -0.11 -1.98 -0.18 0.00 1.11 0.00 0.00 32.58 31.42 1pu0 s HIS 120 CO 0.02 0.05 1.40 1.49 -0.85 0.00 0.00 174.74 176.86 1pu0 h GLU 121 N 1.27 -0.11 0.00 1.40 4.81 -0.78 -3.39 114.58 117.78 1pu0 h GLU 121 Ca -0.42 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.24 1pu0 h GLU 121 Cb 1.26 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 1pu0 h GLU 121 CO 0.66 0.19 -0.30 1.63 -0.73 0.00 0.00 179.01 180.47 1pu0 n LYS 122 N -5.00 0.69 -2.25 1.92 5.02 0.20 -4.87 118.16 113.86 1pu0 n LYS 122 Ca -0.08 -3.45 -0.39 0.00 -2.02 0.00 0.00 58.31 52.37 1pu0 n LYS 122 Cb 0.19 0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 35.62 1pu0 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pu0 s ALA 123 N -2.80 3.23 -0.26 7.82 0.00 -1.14 -0.58 121.76 128.04 1pu0 s ALA 123 Ca 0.27 1.03 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 1pu0 s ALA 123 Cb -0.02 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1pu0 s ALA 123 CO 0.17 -0.55 0.83 0.34 0.00 0.00 0.00 175.76 176.55 1pu0 s ASP 124 N -0.98 6.80 0.00 0.00 3.68 -1.26 -3.79 116.67 121.13 1pu0 s ASP 124 Ca 0.55 0.96 0.02 0.00 2.13 0.00 0.00 52.55 56.22 1pu0 s ASP 124 Cb -0.33 -2.43 0.13 0.00 -1.45 0.00 0.00 42.92 38.83 1pu0 s ASP 124 CO 0.42 -0.55 0.92 -0.90 0.13 0.00 0.00 175.17 175.19 1pu0 n ASP 125 N 6.07 0.00 -1.66 -0.34 3.85 0.92 -4.82 116.55 120.58 1pu0 n ASP 125 Ca 0.05 -1.59 -0.21 0.00 -0.71 0.00 0.00 54.79 52.33 1pu0 n ASP 125 Cb 0.48 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.16 1pu0 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1pu0 n LEU 126 N -0.54 -1.56 0.00 -2.12 4.77 -1.26 -1.61 117.00 114.69 1pu0 n LEU 126 Ca 0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1pu0 n LEU 126 Cb 0.01 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.21 1pu0 n LEU 126 CO 0.01 -1.05 0.00 0.61 -1.33 0.00 0.00 177.39 175.64 1pu0 n GLY 127 N -0.43 0.51 1.01 -0.72 0.00 -1.25 -2.55 105.19 101.76 1pu0 n GLY 127 Ca -0.21 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.68 1pu0 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pu0 n LYS 128 N -2.94 3.00 0.05 1.61 4.76 -0.63 -4.57 118.16 119.44 1pu0 n LYS 128 Ca 0.00 -2.90 -0.11 0.00 -2.87 0.00 0.00 58.31 52.43 1pu0 n LYS 128 Cb 0.00 -1.89 -0.05 0.00 -1.84 0.00 0.00 35.03 31.25 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1pu0 h GLY 129 N 1.91 -0.11 -0.08 0.72 0.00 -1.88 -3.47 103.07 100.16 1pu0 h GLY 129 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1pu0 h GLY 129 CO 0.27 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1pu0 n GLY 130 N -1.21 1.31 3.59 4.60 0.00 -1.26 -5.08 105.19 107.13 1pu0 n GLY 130 Ca -0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1pu0 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 s ASN 131 N -2.13 -0.90 0.56 1.61 2.20 -1.26 -5.06 114.94 109.95 1pu0 s ASN 131 Ca 0.00 1.44 0.35 0.00 -0.94 0.00 0.00 52.86 53.71 1pu0 s ASN 131 Cb 0.00 1.41 1.21 0.00 -2.00 0.00 0.00 41.25 41.87 1pu0 s ASN 131 CO 0.00 -0.23 1.35 1.21 -2.94 0.00 0.00 177.10 176.48 1pu0 n GLU 132 N 4.45 0.01 0.07 3.55 0.00 -1.26 0.79 120.64 128.25 1pu0 n GLU 132 Ca -0.19 1.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.88 1pu0 n GLU 132 Cb 0.57 -2.41 -0.11 0.00 0.00 0.00 0.00 31.44 29.50 1pu0 n GLU 132 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1pu0 h GLU 133 N 0.00 0.08 -1.02 5.31 4.57 -2.01 -3.21 114.58 118.29 1pu0 h GLU 133 Ca 0.66 -0.12 0.26 0.00 -1.18 0.00 0.00 59.36 58.98 1pu0 h GLU 133 Cb 3.16 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 31.71 1pu0 h GLU 133 CO -0.01 1.03 0.67 1.03 -1.18 0.00 0.00 179.01 180.56 1pu0 h SER 134 N 0.02 0.40 0.00 1.04 0.87 0.04 0.16 113.55 116.08 1pu0 h SER 134 Ca -0.04 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1pu0 h SER 134 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1pu0 h SER 134 CO 0.15 0.09 0.00 0.35 -0.53 0.00 0.00 176.83 176.89 1pu0 n THR 135 N -4.56 0.00 0.04 2.23 -2.24 -1.21 -1.06 114.28 107.47 1pu0 n THR 135 Ca 0.24 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.02 1pu0 n THR 135 Cb 0.87 -0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1pu0 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pu0 n LYS 136 N -0.93 0.02 -0.02 -0.78 5.02 0.47 -1.19 118.16 120.76 1pu0 n LYS 136 Ca 0.19 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 1pu0 n LYS 136 Cb 0.09 -0.54 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 1pu0 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pu0 n THR 137 N -3.45 0.31 -1.68 -0.18 -2.24 -0.65 -4.60 114.28 101.78 1pu0 n THR 137 Ca -0.01 -0.66 -0.18 0.00 -2.27 0.00 0.00 64.05 60.94 1pu0 n THR 137 Cb 0.11 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1pu0 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pu0 n GLY 138 N 0.08 1.28 2.58 3.38 0.00 -0.23 -2.62 105.19 109.65 1pu0 n GLY 138 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1pu0 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pu0 n ASN 139 N -1.19 -5.42 0.00 1.61 3.02 -1.26 -0.05 115.26 111.97 1pu0 n ASN 139 Ca -0.18 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.45 1pu0 n ASN 139 Cb 0.60 -4.50 0.63 0.00 -0.61 0.00 0.00 39.78 35.90 1pu0 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu0 n ALA 140 N -2.43 2.27 -0.14 5.41 0.00 -1.08 -4.67 120.51 119.88 1pu0 n ALA 140 Ca -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pu0 n ALA 140 Cb 0.65 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1pu0 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 141 N 1.00 -0.89 3.72 0.00 0.00 -1.26 0.60 105.19 108.36 1pu0 n GLY 141 Ca 0.11 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1pu0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 142 N -4.00 3.72 -0.38 1.61 1.04 -1.26 -4.63 113.70 109.80 1pu0 s SER 142 Ca 0.00 1.68 -0.22 0.00 0.48 0.00 0.00 55.95 57.90 1pu0 s SER 142 Cb 0.00 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.78 1pu0 s SER 142 CO 0.00 -2.51 0.71 -0.13 0.98 0.00 0.00 173.24 172.29 1pu0 s ARG 143 N -4.88 3.64 -0.06 4.02 0.52 -1.26 -0.45 118.95 120.48 1pu0 s ARG 143 Ca 0.63 0.10 0.09 0.00 -0.52 0.00 0.00 55.73 56.02 1pu0 s ARG 143 Cb -0.18 -3.84 -0.24 0.00 0.52 0.00 0.00 34.95 31.21 1pu0 s ARG 143 CO 0.57 -0.85 0.60 1.28 0.02 0.00 0.00 175.30 176.91 1pu0 n LEU 144 N 6.29 1.23 -3.68 2.53 4.77 0.41 -4.92 117.00 123.62 1pu0 n LEU 144 Ca 0.01 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 1pu0 n LEU 144 Cb 0.48 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1pu0 n LEU 144 CO 0.52 0.49 0.14 0.00 -1.33 0.00 0.00 177.39 177.21 1pu0 s ALA 145 N -2.59 -1.03 0.15 -1.18 0.00 -1.21 -4.07 121.76 111.83 1pu0 s ALA 145 Ca -0.08 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1pu0 s ALA 145 Cb 0.08 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1pu0 s ALA 145 CO 0.81 -0.36 0.44 0.00 0.00 0.00 0.00 175.76 176.65 1pu0 s GLY 147 N -2.83 -0.36 0.12 0.00 0.00 -0.75 -1.48 107.32 102.02 1pu0 s GLY 147 Ca 0.05 0.65 -0.30 0.00 0.00 0.00 0.00 44.72 45.12 1pu0 s GLY 147 CO -0.09 0.37 0.96 0.14 0.00 0.00 0.00 173.10 174.48 1pu0 s VAL 148 N -1.81 4.47 -0.27 1.40 1.01 -1.26 -1.34 120.40 122.60 1pu0 s VAL 148 Ca -0.09 2.07 -0.26 0.00 0.00 0.00 0.00 61.98 63.69 1pu0 s VAL 148 Cb -0.02 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pu0 s VAL 148 CO 0.03 0.33 0.92 -0.63 0.00 0.00 0.00 175.10 175.74 1pu0 s ILE 149 N -0.06 4.72 0.16 2.22 1.01 0.04 -4.52 121.20 124.76 1pu0 s ILE 149 Ca 0.47 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.80 1pu0 s ILE 149 Cb -0.24 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1pu0 s ILE 149 CO 0.30 -0.23 -0.09 -0.83 0.00 0.00 0.00 174.94 174.09 1pu0 s GLY 150 N 1.45 1.74 0.16 6.18 0.00 0.47 -0.43 107.32 116.90 1pu0 s GLY 150 Ca 0.38 -1.41 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 1pu0 s GLY 150 CO 0.10 -1.42 1.37 -0.42 0.00 0.00 0.00 173.10 172.73 1pu0 s ILE 151 N -1.57 3.18 0.21 0.90 1.01 -1.26 -1.11 121.20 122.56 1pu0 s ILE 151 Ca 0.24 0.91 0.10 0.00 0.00 0.00 0.00 60.65 61.89 1pu0 s ILE 151 Cb -0.09 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1pu0 s ILE 151 CO 0.15 0.10 -0.12 0.00 0.00 0.00 0.00 174.94 175.07 1pu0 s ALA 152 N 0.60 2.88 -2.00 9.38 0.00 -0.35 -4.83 121.76 127.44 1pu0 s ALA 152 Ca 0.61 -1.60 0.22 0.00 0.00 0.00 0.00 51.96 51.20 1pu0 s ALA 152 Cb -0.37 -0.60 1.34 0.00 0.00 0.00 0.00 23.12 23.49 1pu0 s ALA 152 CO 0.35 0.39 1.72 0.94 0.00 0.00 0.00 175.76 179.16